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

Systemtic Name: (4S)-4-azanyl-5-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1R)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[[(1S,2S)-1-[(2S)-2-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1R)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[[(1S,2S)-1-[(2S)-2-[[(1S)-4-amino-1-carboxy-4-keto-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C44H72N10O17S MolecularWeight: 1045.16428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C44H72N10O17S/c1-7-20(4)33(52-42(68)34(21(5)8-2)51-37(63)25(17-31(58)59)48-39(65)27(19-72)50-36(62)23(45)12-15-30(56)57)41(67)49-26(18-32(60)61)38(64)53-35(22(6)9-3)43(69)54-16-10-11-28(54)40(66)47-24(44(70)71)13-14-29(46)55/h20-28,33-35,72H,7-19,45H2,1-6H3,(H2,46,55)(H,47,66)(H,48,65)(H,49,67)(H,50,62)(H,51,63)(H,52,68)(H,53,64)(H,56,57)(H,58,59)(H,60,61)(H,70,71)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,33-,34-,35-/m0/s1