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

Systemtic Name: (4S)-5-[[(2R)-1-[[(2R)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[[(2R)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1R)-2-[[(1R)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-[[(2R)-2,4-diamino-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2R)-1-[[(2R)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2R)-2,4-diamino-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2R)-1-[[(2R)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1R)-2-[[(1R)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]amino]-4-[[(2R)-2,4-diamino-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C44H66N12O18 MolecularWeight: 1051.06444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H66N12O18/c1-5-19(2)34(42(71)56-35(21(4)57)43(72)53-27(18-33(63)64)40(69)54-28(44(73)74)15-22-9-7-6-8-10-22)55-41(70)26(17-31(48)60)52-39(68)24(11-13-29(46)58)50-36(65)20(3)49-38(67)25(12-14-32(61)62)51-37(66)23(45)16-30(47)59/h6-10,19-21,23-28,34-35,57H,5,11-18,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,67)(H,50,65)(H,51,66)(H,52,68)(H,53,72)(H,54,69)(H,55,70)(H,56,71)(H,61,62)(H,63,64)(H,73,74)/t19-,20+,21+,23+,24+,25-,26-,27-,28-,34-,35-/m0/s1