Chemical Identifiers |
- Formula
- C53H63N9O13
- IUPAC Name
(3S)-3-[[(2S)-2-[2-[(2S)-1-[[2-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
- Canonical SMILES
-
CCCC[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NN[C@@H](CC4=CC=CC=C4)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O
- InChI
-
InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
- InChIKey
-
LHFDBKUCTFELLO-WMRIFXDUSA-N
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