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

Systemtic Name: (3S)-3-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-[[(2S)-1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-[[(1S)-1-[[2-(carboxymethylamino)-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-4-[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-4-[[(1S)-1-[[2-(carboxymethylamino)-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-4-keto-butyric acid Formula: C39H66N12O16 MolecularWeight: 959.01214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C39H66N12O16/c1-5-19(4)32(51-38(66)23(12-18(2)3)48-33(61)20(41)13-27(43)53)39(67)47-21(8-6-7-11-40)35(63)46-22(9-10-26(42)52)36(64)50-25(15-30(57)58)37(65)49-24(14-29(55)56)34(62)45-16-28(54)44-17-31(59)60/h18-25,32H,5-17,40-41H2,1-4H3,(H2,42,52)(H2,43,53)(H,44,54)(H,45,62)(H,46,63)(H,47,67)(H,48,61)(H,49,65)(H,50,64)(H,51,66)(H,55,56)(H,57,58)(H,59,60)/t19-,20-,21-,22-,23-,24-,25-,32-/m0/s1