(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-6-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)amino]hexanoyl]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:
C58H69N13O11
InChI: InChI=1/C58H69N13O11/c1-3-4-22-42(51(59)72)63-56(77)47-25-15-30-69(47)58(79)48-26-16-31-70(48)57(78)45(32-36-17-7-5-8-18-36)66-55(76)44(33-38-34-61-40-23-12-11-21-39(38)40)65-52(73)35(2)62-54(75)43(64-53(74)37-19-9-6-10-20-37)24-13-14-29-60-41-27-28-46(71(80)81)50-49(41)67-82-68-50/h5-12,17-21,23,27-28,34-35,42-45,47-48,60-61H,3-4,13-16,22,24-26,29-33H2,1-2H3,(H2,59,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t35-,42-,43-,44+,45-,47-,48+/m0/s1/f/h62-66H,59H2
InChIKey: InChIKey=QPHVEJJSCPWZEE-GPHXGWGCDO
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(CCCCNC6=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-6-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)amino]hexanoyl]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 190883
PubChem ID 10261228
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