(4S)-5-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-phenyl-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-phenyl-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-[[(2S)-5-guanidino-2-[[(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-[[(2S)-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]-3-phenylpropyl]amino]pentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-[[(2S)-5-guanidino-2-[[(2S)-2-nicotinamido-3-phenyl-propanoyl]amino]pentanoyl]amino]-5-keto-valeric acid Formula: C35H43N9O8 MolecularWeight: 717.77142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C35H43N9O8/c36-30(48)27(18-22-10-12-24(45)13-11-22)43-33(51)26(14-15-29(46)47)42-32(50)25(9-5-17-40-35(37)38)41-34(52)28(19-21-6-2-1-3-7-21)44-31(49)23-8-4-16-39-20-23/h1-4,6-8,10-13,16,20,25-28,45H,5,9,14-15,17-19H2,(H2,36,48)(H,41,52)(H,42,50)(H,43,51)(H,44,49)(H,46,47)(H4,37,38,40)/t25-,26-,27-,28-/m0/s1