(3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[2-[[(2S)-6-azanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethyl]amino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[2-[[(2S)-6-azanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethyl]amino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[2-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pentyl]amino]-2-keto-ethyl]amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]prolyl]amino]propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C41H62N10O12 MolecularWeight: 886.99078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C41H62N10O12/c1-23(2)34(43)40(61)51-18-10-14-29(51)37(58)46-24(3)39(60)50-17-9-15-30(50)38(59)49-27(20-33(54)55)36(57)45-21-31(52)47-26(13-7-8-16-42)35(56)44-22-32(53)48-28(41(62)63)19-25-11-5-4-6-12-25/h4-6,11-12,23-24,26-30,34H,7-10,13-22,42-43H2,1-3H3,(H,44,56)(H,45,57)(H,46,58)(H,47,52)(H,48,53)(H,49,59)(H,54,55)(H,62,63)/t24-,26-,27-,28-,29-,30-,34-/m0/s1