3,5-bis(azanyl)-N-[azanyl-[2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]methylidene]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-N-[azanyl-[2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]methylidene]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-[amino-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]methylene]-6-chloro-pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[amino-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]methylidene]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-[amino-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methylidene]-6-chloropyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-[amino-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]methylene]-6-chloro-pyrazinamide Formula: C31H37ClN12O7 MolecularWeight: 725.15468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C31H37ClN12O7/c1-15(39-28(49)19(33)11-17-7-9-18(45)10-8-17)27(48)37-13-21(46)40-20(12-16-5-3-2-4-6-16)29(50)38-14-22(47)41-31(36)44-30(51)23-25(34)43-26(35)24(32)42-23/h2-10,15,19-20,45H,11-14,33H2,1H3,(H,37,48)(H,38,50)(H,39,49)(H,40,46)(H4,34,35,43)(H3,36,41,44,47,51)/t15-,19+,20+/m1/s1