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

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-1-(hydroxymethyl)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-5-keto-valeric acid Formula: C37H63N11O15S MolecularWeight: 934.02582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(CC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C37H63N11O15S/c1-15(2)11-22(33(58)43-20(7-9-25(39)50)31(56)41-17(5)29(54)46-23(13-49)34(59)42-18(6)37(62)63)45-32(57)21(8-10-27(52)53)44-36(61)28(16(3)4)48-35(60)24(14-64)47-30(55)19(38)12-26(40)51/h15-24,28,49,64H,7-14,38H2,1-6H3,(H2,39,50)(H2,40,51)(H,41,56)(H,42,59)(H,43,58)(H,44,61)(H,45,57)(H,46,54)(H,47,55)(H,48,60)(H,52,53)(H,62,63)/t17-,18-,19-,20-,21-,22-,23-,24-,28-/m0/s1