(3S)-3-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]amino]pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]amino]pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-(hydroxymethyl)-2-[[(1S)-3-methyl-1-[[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-3-hydroxy-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-3-hydroxy-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-keto-4-[[(1S)-2-keto-2-[[(1S)-1-[[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methylol-ethyl]amino]butyric acid Formula: C34H58N12O11 MolecularWeight: 810.89812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NCC#C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C34H58N12O11/c1-7-10-38-28(52)19(6)42-30(54)21(12-17(2)3)45-32(56)23(16-47)46-31(55)22(13-26(50)51)44-25(49)14-40-29(53)20(9-8-11-39-34(36)37)43-24(48)15-41-33(57)27(35)18(4)5/h1,17-23,27,47H,8-16,35H2,2-6H3,(H,38,52)(H,40,53)(H,41,57)(H,42,54)(H,43,48)(H,44,49)(H,45,56)(H,46,55)(H,50,51)(H4,36,37,39)/t19-,20-,21-,22-,23-,27-/m0/s1