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

Systemtic Name: (4S)-5-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-(carboxymethylamino)-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic ac Openeye Name: (4S)-5-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-3-amino-1-(carboxymethylcarbamoyl)-3-oxo-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-4-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-3-amino-1-(carboxymethylcarbamoyl)-3-keto-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-4-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C45H72N12O21 MolecularWeight: 1117.12098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H72N12O21/c1-6-19(3)35(44(77)54-26(11-15-32(64)65)42(75)55-27(17-29(48)59)39(72)49-18-34(68)69)56-37(70)21(5)50-40(73)24(9-13-30(60)61)53-45(78)36(20(4)7-2)57-43(76)23(8-12-28(47)58)52-41(74)25(10-14-31(62)63)51-38(71)22(46)16-33(66)67/h19-27,35-36H,6-18,46H2,1-5H3,(H2,47,58)(H2,48,59)(H,49,72)(H,50,73)(H,51,71)(H,52,74)(H,53,78)(H,54,77)(H,55,75)(H,56,70)(H,57,76)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,35-,36-/m0/s1