(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-5-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)amino]pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]-N-[(1S)-1-carbamoylpentyl]pyrrolidine-2-carboxamide
Molecular Formula:
C57H67N13O11
InChI: InChI=1/C57H67N13O11/c1-3-4-21-41(50(58)71)62-55(76)46-24-14-29-68(46)57(78)47-25-15-30-69(47)56(77)44(31-35-16-7-5-8-17-35)65-54(75)43(32-37-33-60-39-22-12-11-20-38(37)39)64-51(72)34(2)61-53(74)42(63-52(73)36-18-9-6-10-19-36)23-13-28-59-40-26-27-45(70(79)80)49-48(40)66-81-67-49/h5-12,16-20,22,26-27,33-34,41-44,46-47,59-60H,3-4,13-15,21,23-25,28-32H2,1-2H3,(H2,58,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t34-,41-,42-,43+,44-,46-,47+/m0/s1/f/h61-65H,58H2
InChIKey: InChIKey=HYKCXAOAAIQPOE-SCJIZOCWDB
SMILES: CCCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(C)NC(=O)C(CCCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])NC(=O)C8=CC=CC=C8
Names:
(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-5-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)amino]pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]-N-[(1S)-1-carbamoylpentyl]pyrrolidine-2-carboxamide
Registries:
PubChem CID 190884
PubChem ID 10261229
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