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

Systemtic Name: (3S)-3-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-[[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-4-(carboxymethylamino)-4-keto-butyric acid Formula: C31H45N7O12 MolecularWeight: 707.7287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C31H45N7O12/c1-15(34-27(46)19(32)12-18-8-5-4-6-9-18)26(45)36-24(16(2)39)30(49)37-25(17(3)40)31(50)38-11-7-10-21(38)29(48)35-20(13-22(41)42)28(47)33-14-23(43)44/h4-6,8-9,15-17,19-21,24-25,39-40H,7,10-14,32H2,1-3H3,(H,33,47)(H,34,46)(H,35,48)(H,36,45)(H,37,49)(H,41,42)(H,43,44)/t15-,16+,17+,19-,20-,21-,24-,25-/m0/s1