(2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-(3,3-dimethylbutanoylamino)-2,5,8-tris(oxidanylidene)-3-propan-2-yl-1,4,9-triazacyclotetradec-14-yl]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-(3,3-dimethylbutanoylamino)-2,5,8-tris(oxidanylidene)-3-propan-2-yl-1,4,9-triazacyclotetradec-14-yl]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-(2-amino-2-oxo-ethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-(3,3-dimethylbutanoylamino)-3-isopropyl-2,5,8-trioxo-1,4,9-triazacyclotetradec-14-yl]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-(2-amino-2-oxoethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-[(3,3-dimethyl-1-oxobutyl)amino]-2,5,8-trioxo-3-propan-2-yl-1,4,9-triazacyclotetradec-14-yl]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-(3,3-dimethylbutanoylamino)-2,5,8-trioxo-3-propan-2-yl-1,4,9-triazacyclotetradec-14-yl]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-(2-amino-2-keto-ethyl)-2-[[(2S)-2-[[(3S)-3-[(3S,6S,14S)-6-(3,3-dimethylbutanoylamino)-3-isopropyl-2,5,8-triketo-1,4,9-triazacyclotetradec-14-yl]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeramide Formula: C36H64N8O9 MolecularWeight: 752.94156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N)NC(=O)C(C(C)C)NC(=O)CC(C1CCCCNC(=O)CC(C(=O)NC(C(=O)N1)C(C)C)NC(=O)CC(C)(C)C)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H]([C@@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N1)C(C)C)NC(=O)CC(C)(C)C)O

InChI

InChI=1S/C36H64N8O9/c1-19(2)14-23(32(50)39-18-26(37)46)42-34(52)30(20(3)4)43-28(48)16-25(45)22-12-10-11-13-38-27(47)15-24(40-29(49)17-36(7,8)9)33(51)44-31(21(5)6)35(53)41-22/h19-25,30-31,45H,10-18H2,1-9H3,(H2,37,46)(H,38,47)(H,39,50)(H,40,49)(H,41,53)(H,42,52)(H,43,48)(H,44,51)/t22-,23-,24-,25-,30-,31-/m0/s1