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

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-carboxy-3-keto-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-valeric acid Formula: C46H70N12O17 MolecularWeight: 1063.1182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H70N12O17/c1-21(2)15-28(55-39(67)25(47)18-34(49)60)42(70)53-27(12-14-36(62)63)41(69)57-30(17-24-9-7-6-8-10-24)44(72)56-29(16-22(3)4)43(71)52-26(11-13-33(48)59)40(68)51-23(5)38(66)54-31(20-37(64)65)45(73)58-32(46(74)75)19-35(50)61/h6-10,21-23,25-32H,11-20,47H2,1-5H3,(H2,48,59)(H2,49,60)(H2,50,61)(H,51,68)(H,52,71)(H,53,70)(H,54,66)(H,55,67)(H,56,72)(H,57,69)(H,58,73)(H,62,63)(H,64,65)(H,74,75)/t23-,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1