(2S)-2-[[(2R)-2-[2-[[(2S)-2-[2-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[2-[[(2S)-2-[2-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]hydrazo]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[N'-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C50H57N11O11 MolecularWeight: 988.05468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NNC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CNC(=O)C(C)NC(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NNC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C50H57N11O11/c1-27(57-47(68)37(51)19-29-11-15-33(62)16-12-29)45(66)54-26-44(65)58-40(21-31-23-52-38-9-5-3-7-35(31)38)49(70)61-60-41(22-32-24-53-39-10-6-4-8-36(32)39)48(69)55-25-43(64)56-28(2)46(67)59-42(50(71)72)20-30-13-17-34(63)18-14-30/h3-18,23-24,27-28,37,40-42,52-53,60,62-63H,19-22,25-26,51H2,1-2H3,(H,54,66)(H,55,69)(H,56,64)(H,57,68)(H,58,65)(H,59,67)(H,61,70)(H,71,72)/t27-,28-,37+,40+,41+,42+/m1/s1