(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C37H59N11O12 MolecularWeight: 849.93086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H59N11O12/c1-19(2)30(37(59)60)48-29(52)17-41-34(56)25(14-22-10-6-5-7-11-22)46-32(54)21(4)44-31(53)20(3)43-28(51)16-42-35(57)26(18-49)47-36(58)24(12-8-9-13-38)45-33(55)23(39)15-27(40)50/h5-7,10-11,19-21,23-26,30,49H,8-9,12-18,38-39H2,1-4H3,(H2,40,50)(H,41,56)(H,42,57)(H,43,51)(H,44,53)(H,45,55)(H,46,54)(H,47,58)(H,48,52)(H,59,60)/t20-,21-,23-,24-,25-,26-,30-/m0/s1