(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]butanediamide CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]succinamide Formula: C40H57N9O11 MolecularWeight: 839.93428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C40H57N9O11/c1-4-21(2)32(47-37(57)30-11-8-16-49(30)40(60)29(20-50)46-35(55)26(41)17-24-12-14-25(52)15-13-24)38(58)48-33(22(3)51)39(59)45-28(19-31(42)53)36(56)44-27(34(43)54)18-23-9-6-5-7-10-23/h5-7,9-10,12-15,21-22,26-30,32-33,50-52H,4,8,11,16-20,41H2,1-3H3,(H2,42,53)(H2,43,54)(H,44,56)(H,45,59)(H,46,55)(H,47,57)(H,48,58)/t21-,22+,26-,27-,28-,29-,30-,32-,33-/m0/s1