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

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-keto-butanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C43H64N12O16 MolecularWeight: 1005.03906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H64N12O16/c1-19(2)33(40(67)52-25(15-22-9-6-5-7-10-22)37(64)51-27(18-32(60)61)36(63)48-20(3)43(70)71)53-41(68)34(21(4)56)54-38(65)26(17-31(47)59)50-35(62)24(12-13-29(45)57)49-39(66)28-11-8-14-55(28)42(69)23(44)16-30(46)58/h5-7,9-10,19-21,23-28,33-34,56H,8,11-18,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,63)(H,49,66)(H,50,62)(H,51,64)(H,52,67)(H,53,68)(H,54,65)(H,60,61)(H,70,71)/t20-,21+,23-,24-,25-,26-,27-,28-,33-,34-/m0/s1