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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[(2S)-2-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-amino-1-[(2S)-2-[[(1S)-3-hydroxy-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[[(2S)-4-hydroxy-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-4-hydroxy-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-amino-1-[(2S)-2-[[(1S)-3-hydroxy-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C40H64N10O17S2 MolecularWeight: 1021.12296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H64N10O17S2/c1-17(2)12-21(44-33(59)20(8-10-29(54)55)43-36(62)24(15-68)47-38(64)31(18(3)4)49-32(58)19(41)7-9-28(52)53)34(60)46-23(13-27(42)51)39(65)50-11-5-6-26(50)37(63)45-22(14-30(56)57)35(61)48-25(16-69)40(66)67/h17-26,31,68-69H,5-16,41H2,1-4H3,(H2,42,51)(H,43,62)(H,44,59)(H,45,63)(H,46,60)(H,47,64)(H,48,61)(H,49,58)(H,52,53)(H,54,55)(H,56,57)(H,66,67)/t19-,20-,21-,22-,23-,24-,25-,26-,31-/m0/s1