Napt-taa

Structural Information

Molecular Formula

C₆₉H₉₂Cl₂N₁₈O₁₃

SMILES

C[C@H](C(=O)NC(=O)[C@@H](CC1=CC=C(C=C1)Cl)NC(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC(=O)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C69H92Cl2N18O13/c1-37(2)30-52(84-60(95)50(12-7-27-77-68(73)74)82-63(98)54(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)87-59(94)48(72)34-43-35-79-49-11-6-5-10-47(43)49)61(96)83-51(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(93)88-64(99)55(32-41-17-23-45(71)24-18-41)85-62(97)53(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,48,50-57,79,90,92H,7-9,12-14,27-34,36,72H2,1-4H3,(H,80,101)(H,81,91)(H,82,98)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,94)(H4,73,74,77)(H4,75,76,78)(H,88,93,99)/t38-,48-,50-,51+,52+,53-,54+,55-,56+,57+/m1/s1

InChIKey

HDKMSGKLRVZCOD-SXMMSQOJSA-N

Compound name

(2S)-N-[(2R)-1-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 25078109