(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butyric acid Formula: C45H64N10O13 MolecularWeight: 953.04886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)N

InChI

InChI=1S/C45H64N10O13/c1-4-24(2)36(43(65)54-37(25(3)57)45(67)68)53-39(61)29(17-18-34(47)58)49-42(64)33-16-11-19-55(33)44(66)32(21-27-14-9-6-10-15-27)52-41(63)31(22-35(48)59)51-40(62)30(50-38(60)28(46)23-56)20-26-12-7-5-8-13-26/h5-10,12-15,24-25,28-33,36-37,56-57H,4,11,16-23,46H2,1-3H3,(H2,47,58)(H2,48,59)(H,49,64)(H,50,60)(H,51,62)(H,52,63)(H,53,61)(H,54,65)(H,67,68)/t24-,25+,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1