(3S)-4-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-1-benzyl-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-1-benzyl-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butyric acid Formula: C48H78N12O15 MolecularWeight: 1063.20432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H78N12O15/c1-7-26(6)39(47(73)56-31(20-27-13-9-8-10-14-27)42(68)58-34(23-61)48(74)75)60-45(71)32(21-36(52)63)55-41(67)29(16-17-35(51)62)53-43(69)33(22-37(64)65)57-46(72)38(25(4)5)59-44(70)30(19-24(2)3)54-40(66)28(50)15-11-12-18-49/h8-10,13-14,24-26,28-34,38-39,61H,7,11-12,15-23,49-50H2,1-6H3,(H2,51,62)(H2,52,63)(H,53,69)(H,54,66)(H,55,67)(H,56,73)(H,57,72)(H,58,68)(H,59,70)(H,60,71)(H,64,65)(H,74,75)/t26-,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1