(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(1-naphthalenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeramide Formula: C27H39N7O4 MolecularWeight: 525.64306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC1=CC=CC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C27H39N7O4/c1-16(2)14-22(24(28)36)34-25(37)21(12-7-13-31-27(29)30)33-26(38)23(32-17(3)35)15-19-10-6-9-18-8-4-5-11-20(18)19/h4-6,8-11,16,21-23H,7,12-15H2,1-3H3,(H2,28,36)(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/t21-,22-,23+/m0/s1