(4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-3-oxidanylidenebutan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-3-oxidanylidenebutan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(1S)-5-amino-1-[[(1S)-1-methyl-2-oxo-propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]hexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]hexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(1S)-5-amino-1-[[(1S)-2-keto-1-methyl-propyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C26H39N5O7 MolecularWeight: 533.61716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C26H39N5O7/c1-16(17(2)32)28-24(36)20(11-7-8-14-27)30-25(37)21(12-13-23(34)35)31-26(38)22(29-18(3)33)15-19-9-5-4-6-10-19/h4-6,9-10,16,20-22H,7-8,11-15,27H2,1-3H3,(H,28,36)(H,29,33)(H,30,37)(H,31,38)(H,34,35)/t16-,20-,21-,22-/m0/s1