(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Formula: C30H48N8O8 MolecularWeight: 648.75092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48N8O8/c1-18(2)14-22(28(43)37-21(30(45)46)10-6-7-13-31)38-29(44)23(15-19-8-4-3-5-9-19)36-26(41)17-34-25(40)16-35-27(42)20(32)11-12-24(33)39/h3-5,8-9,18,20-23H,6-7,10-17,31-32H2,1-2H3,(H2,33,39)(H,34,40)(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,45,46)/t20-,21-,22-,23-/m0/s1