(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-5-guanidino-valeramide Formula: C37H45N9O7 MolecularWeight: 727.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N

InChI

InChI=1S/C37H45N9O7/c1-21(47)43-31(18-23-10-14-26(49)15-11-23)35(52)46-32(19-24-20-42-28-6-3-2-5-27(24)28)36(53)44-29(7-4-16-41-37(39)40)34(51)45-30(33(38)50)17-22-8-12-25(48)13-9-22/h2-3,5-6,8-15,20,29-32,42,48-49H,4,7,16-19H2,1H3,(H2,38,50)(H,43,47)(H,44,53)(H,45,51)(H,46,52)(H4,39,40,41)/t29-,30-,31-,32-/m0/s1