3-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-N-(3-phenoxyphenyl)pentanamide

Systemtic Name: 3-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-N-(3-phenoxyphenyl)pentanamide Openeye Name: 3-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-N-(3-phenoxyphenyl)pentanamide CAS Name: 3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-N-(3-phenoxyphenyl)pentanamide IUPAC Name: 3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methyl-N-(3-phenoxyphenyl)pentanamide Traditional Name: 3-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-N-(3-phenoxyphenyl)valeramide Formula: C30H46N10O4 MolecularWeight: 610.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C(CC(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C30H46N10O4/c1-19(2)25(18-26(41)38-20-9-6-12-22(17-20)44-21-10-4-3-5-11-21)40-28(43)24(14-8-16-37-30(34)35)39-27(42)23(31)13-7-15-36-29(32)33/h3-6,9-12,17,19,23-25H,7-8,13-16,18,31H2,1-2H3,(H,38,41)(H,39,42)(H,40,43)(H4,32,33,36)(H4,34,35,37)/t23-,24-,25?/m0/s1