Ac-d-nal(2)-d-phe(pcl)-d-pal(3)-ser-tyr-d-cit-nle-arg-pro-d-ala-nh2

Structural Information

Molecular Formula

C₇₀H₉₂ClN₁₇O₁₄

SMILES

CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C

InChI

InChI=1S/C70H92ClN17O14/c1-4-5-15-50(61(94)83-52(17-10-30-77-69(73)74)68(101)88-32-11-18-58(88)67(100)79-40(2)59(72)92)81-60(93)51(16-9-31-78-70(75)102)82-63(96)54(35-43-22-27-49(91)28-23-43)86-66(99)57(39-89)87-65(98)56(37-45-12-8-29-76-38-45)85-64(97)55(34-42-20-25-48(71)26-21-42)84-62(95)53(80-41(3)90)36-44-19-24-46-13-6-7-14-47(46)33-44/h6-8,12-14,19-29,33,38,40,50-58,89,91H,4-5,9-11,15-18,30-32,34-37,39H2,1-3H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,93)(H,82,96)(H,83,94)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50+,51-,52+,53-,54+,55-,56-,57+,58+/m1/s1

InChIKey

LSHRFUPCJCONQB-GYMZNMSMSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 25081537