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

Systemtic Name: (4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-3-amino-1-[[(1S)-4-hydroxy-1-[[(1R)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-3-amino-1-[[(1S)-4-hydroxy-1-[[(1R)-2-[[(1S)-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-keto-propyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-valeric acid Formula: C37H64N12O15S MolecularWeight: 949.04046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H64N12O15S/c1-16(2)12-18(38)29(56)43-19(6-5-11-42-37(40)41)30(57)44-20(7-9-26(52)53)31(58)46-22(13-25(39)51)33(60)45-21(8-10-27(54)55)32(59)48-24(15-65)34(61)49-28(17(3)4)35(62)47-23(14-50)36(63)64/h16-24,28,50,65H,5-15,38H2,1-4H3,(H2,39,51)(H,43,56)(H,44,57)(H,45,60)(H,46,58)(H,47,62)(H,48,59)(H,49,61)(H,52,53)(H,54,55)(H,63,64)(H4,40,41,42)/t18-,19-,20-,21-,22-,23-,24-,28-/m0/s1