methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

Modify Date: 2025-08-20 19:26:59

methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate Structure
methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate structure
Common Name methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
CAS Number 11044-38-5 Molecular Weight 809.02900
Density 1.25g/cm3 Boiling Point N/A
Molecular Formula C41H60N8O7S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.25g/cm3
Molecular Formula C41H60N8O7S
Molecular Weight 809.02900
Exact Mass 808.43100
PSA 253.98000
LogP 7.38350
Index of Refraction 1.604
InChIKey SKZTYAYWVMPFTB-ISLYRVAYSA-N
SMILES COC(=O)CC(NC(=O)C(NC(=O)CN=C(N)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C=CC(C)C)C(C)(C)C)C(C)C)C(C)c1ccccc1)c1nccs1

 Synonyms

BottromycinB2 (8CI)
METHYL 3-[[2-[[2-[[AMINO-[1-[2-[[3,3-DIMETHYL-2-[[(E)-4-METHYLPENT-2-ENOYL]AMINO]BUTANOYL]AMINO]-3-METHYL-BUTANOYL]PYRROLIDIN-2-YL]METHYLIDENE]AMINO]ACETYL]AMINO]-3-PHENYL-BUTANOYL]AMINO]-3-(1,3-THIAZOL-2-YL)PROPANOATE
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