(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-[[(1S)-1-[(3S)-1,2-oxaziridin-3-yl]pentyl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-[[(1S)-1-[(3S)-1,2-oxaziridin-3-yl]pentyl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-1-methyl-2-[[(1S)-1-[(3S)-oxaziridin-3-yl]pentyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-1-[[(1S)-1-[(3S)-3-oxaziridinyl]pentyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-[(3S)-oxaziridin-3-yl]pentyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-5-keto-5-[[(1S)-2-keto-1-methyl-2-[[(1S)-1-[(3S)-oxaziridin-3-yl]pentyl]amino]ethyl]amino]valeric acid Formula: C40H69N11O8 MolecularWeight: 832.04476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1NO1)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)NCC(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCCC[C@@H]([C@H]1NO1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C40H69N11O8/c1-7-8-16-30(39-51-59-39)49-34(54)25(6)46-36(56)29(17-18-32(52)53)48-37(57)31(21-26-13-10-9-11-14-26)45-22-27(20-23(2)3)47-38(58)33(24(4)5)50-35(55)28(41)15-12-19-44-40(42)43/h9-11,13-14,23-25,27-31,33,39,45,51H,7-8,12,15-22,41H2,1-6H3,(H,46,56)(H,47,58)(H,48,57)(H,49,54)(H,50,55)(H,52,53)(H4,42,43,44)/t25-,27-,28-,29-,30-,31-,33-,39-/m0/s1