(3S)-4-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-[[(2S)-2-[[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-[[(2S)-2-[[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-3-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-3-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C27H42N6O8 MolecularWeight: 578.65778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N

Isomeric SMILES

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N

InChI

InChI=1S/C27H42N6O8/c1-16(2)12-18(14-22(34)33-41)25(38)31-20(13-17-8-4-3-5-9-17)26(39)32-21(15-23(35)36)27(40)30-19(24(29)37)10-6-7-11-28/h3-5,8-9,16,18-21,41H,6-7,10-15,28H2,1-2H3,(H2,29,37)(H,30,40)(H,31,38)(H,32,39)(H,33,34)(H,35,36)/t18-,19+,20+,21+/m1/s1