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

Systemtic Name: (4S)-4-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[[2-[[(2S,3S)-1-[[2-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-[[2-[[(1S,2S)-1-[[2-[[(1S,2R)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-[[2-[[(2S,3S)-1-[[2-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-[[2-[[(2S,3S)-1-[[2-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-[[2-[[(1S,2S)-1-[[2-[[(1S,2R)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C35H63N11O13 MolecularWeight: 845.94062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C35H63N11O13/c1-7-17(4)26(44-23(49)14-40-30(54)21(10-11-25(51)52)42-29(53)20(36)13-16(2)3)31(55)41-15-24(50)45-27(18(5)47)33(57)46-28(19(6)48)32(56)43-22(34(58)59)9-8-12-39-35(37)38/h16-22,26-28,47-48H,7-15,36H2,1-6H3,(H,40,54)(H,41,55)(H,42,53)(H,43,56)(H,44,49)(H,45,50)(H,46,57)(H,51,52)(H,58,59)(H4,37,38,39)/t17-,18+,19+,20-,21-,22-,26-,27-,28-/m0/s1