2-[[(1S)-2-[[(2S)-1-[[1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl]amino]hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[[(1S)-2-[[(2S)-1-[[1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl]amino]hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 3-[[(1S)-1-cyclohexyl-2-[[(1S)-1-[1-[2-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]norbornane-2-carboxylic acid CAS Name: 2-[[[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-3-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: 2-[[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 3-[[(1S)-1-cyclohexyl-2-[[(1S)-1-[1-[2-[[2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]norbornane-2-carboxylic acid Formula: C39H55N5O10 MolecularWeight: 753.8815

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C2CCCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O

InChI

InChI=1S/C39H55N5O10/c1-4-11-26(33(46)37(50)40-20-28(45)43-32(39(53)54)23-14-9-6-10-15-23)41-34(47)27(18-21(2)3)42-36(49)31(22-12-7-5-8-13-22)44-35(48)29-24-16-17-25(19-24)30(29)38(51)52/h6,9-10,14-15,21-22,24-27,29-32H,4-5,7-8,11-13,16-20H2,1-3H3,(H,40,50)(H,41,47)(H,42,49)(H,43,45)(H,44,48)(H,51,52)(H,53,54)/t24?,25?,26?,27-,29?,30?,31-,32-/m0/s1