(4S)-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-3-amino-1-carboxy-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-keto-valeric acid Formula: C42H57N11O16 MolecularWeight: 971.96608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C42H57N11O16/c1-20(55)34(41(67)51-28(42(68)69)18-32(46)58)53-39(65)27(17-31(45)57)49-37(63)25(15-22-10-6-3-7-11-22)48-38(64)26(16-30(44)56)50-40(66)29(19-54)52-36(62)24(12-13-33(59)60)47-35(61)23(43)14-21-8-4-2-5-9-21/h2-11,20,23-29,34,54-55H,12-19,43H2,1H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,61)(H,48,64)(H,49,63)(H,50,66)(H,51,67)(H,52,62)(H,53,65)(H,59,60)(H,68,69)/t20-,23+,24+,25+,26+,27+,28+,29+,34+/m1/s1