methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-valeric acid methyl ester Formula: C28H38N6O5 MolecularWeight: 538.63852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H38N6O5/c1-18(2)23(26(37)32-21(27(38)39-3)15-10-16-31-28(29)30)34-25(36)22(17-19-11-6-4-7-12-19)33-24(35)20-13-8-5-9-14-20/h4-9,11-14,18,21-23H,10,15-17H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)(H4,29,30,31)/t21-,22-,23-/m0/s1