| Phytochemical Name : Pepstatin |
| PCNDIDP0048 |
| Pubchem CID : 5478883 |
| Molecular formula: C34H63N5O9 |
| Canonical SMILES : CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O |
Synonymes : Pepstatin A|pepstatin|26305-03-3|Pepstatine|Ahpatinin C|Pepstatinum|Pepstatina|Pepsin inhibitor S 735A|Procidin S 735A|Pepstatin (nonspecific)|39324-30-6|Pepstatin (VAN)|CCRIS 3603|C34H63N5O9|UNII-V6Y2T27Q1U|Iva-Val-Val-Sta-Ala-Sta-OH|MLS002222329|CHEMBL296588|V6Y2T27Q1U|DTXSID7046095|NSC-272671|(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid|NCGC00161670-06|Pepstatin [USAN:INN]|Pepstatine [INN-French]|Pepstatinum [INN-Latin]|Pepstatina [INN-Spanish]|3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid|DTXCID5026095|EINECS 247-600-0|NSC 272671|BRN 2201362|(3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid|(6S,9S,12S,13S,17S,20S,21S)-13,21-dihydroxy-12,20-diisobutyl-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-5,8,11,16,19-pentaazatricosan-23-oic acid|L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-|N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid|SMR000059191|Ia Quinidine|C34-H63-N5-O9|1lyb|1sme|6apr|Heptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-3-hydroxy-6-methyl-4-aminoheptanoyl-L-alanyl-(3S,4S)-3-hydroxy-6-methyl-4-amino-|N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid|N-Isovaleryl-L-valyl-L-valyl-3-hydroxy-6-methyl-gamma-aminoheptanoyl-L-alanyl-3-hydroxy-6-methyl-gamma-aminoheptanoic acid|CAS-26305-03-3|4er2|Iboctadekin + rituximab|PEPSTATIN [INN]|PEPSTATIN [MI]|Pepstatin (USAN/INN)|PEPSTATIN [USAN]|Prestwick3_000405|D07IPX|D0J2VB|Iva-Val-Val-Sta-Ala-Sta|UPCMLD-DP141|PEPSTATIN [WHO-DD]|SCHEMBL50324|BDBM912|BSPBio_000330|BSPBio_001000|KBioGR_000340|KBioSS_000340|MLS000069747|MLS002207302|MLS006010748|BPBio1_000364|CHEBI:7989|SCHEMBL19469525|UPCMLD-DP141:001|UPCMLD-DP141:002|KBio2_000340|KBio2_002908|KBio2_005476|KBio3_000679|KBio3_000680|Bio1_000404|Bio1_000893|Bio1_001382|Bio2_000340|Bio2_000820|HMS1362B21|HMS1792B21|HMS1990B21|HMS2096A12|HMS2233I07|HMS3403B21|HMS3713A12|BCP15859|EX-A4027|HY-P0018|L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-((1S)-1-((1S)-2-carboxy-1-hydroxyethyl)-3-methylbutyl)-|L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*(R*(R*)))))-|Pepstatin, from Streptomyces species|Tox21_111747|HB3359|s7381|Pepstatin A, >=100,000 U/mg|AKOS024456453|Tox21_111747_1|AC-8820|CCG-207852|CS-4202|IDI1_002095|NCGC00160128-02|NCGC00161670-01|NCGC00161670-02|NCGC00161670-03|NCGC00161670-04|BS-16753|SMR001307268|Pepstatin A, microbial, >=75% (HPLC)|Pepstatin A, microbial, >=90% (HPLC)|AB00513830|C74361|D03818|Pepstatin A; Isovaleryl-Val-Val-Sta-Ala-Sta-OH|SR-01000721876|Q7166509|SR-01000721876-3|BRD-K13571841-001-03-7|(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid|Isovaleryl-Val-Val-4-amino-3-hydroxy-6-methylheptanoyl-Ala-4-amino-3-hydroxy-6-methylheptanoic Acid|N-(3-methylbutanoyl)-L-valyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S,3S)-1-carboxy-2-hydroxy-5-methylhexan-3-yl]amino}-1-oxopropan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-L-valinamide |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.680 |
| Log Po/w (XLOGP3) : 2.990 |
| Log Po/w (WLOGP) : 1.470 |
| Log Po/w (MLOGP) : 0.000 |
| Log Po/w (SILICOS-IT) : 4.150 |
| Consensus Log Po/w : 2.460 |

