(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-glycylprolyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]amino]-5-guanidino-valeric acid Formula: C23H41N9O7 MolecularWeight: 555.62774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1CCCN1C(=O)CN

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN

InChI

InChI=1S/C23H41N9O7/c1-12(2)18(31-20(36)15-7-5-9-32(15)17(34)10-24)21(37)28-11-16(33)29-13(3)19(35)30-14(22(38)39)6-4-8-27-23(25)26/h12-15,18H,4-11,24H2,1-3H3,(H,28,37)(H,29,33)(H,30,35)(H,31,36)(H,38,39)(H4,25,26,27)/t13-,14-,15-,18-/m0/s1