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

Structural Information

Molecular Formula

C₇₀H₉₂ClN₁₇O₁₄

SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)(C)C)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/c1-39(58(72)92)79-65(99)56-17-11-31-88(56)67(101)50(16-10-29-77-68(73)74)82-66(100)57(70(3,4)5)87-59(93)49(15-9-30-78-69(75)102)81-61(95)52(34-42-21-26-48(91)27-22-42)85-64(98)55(38-89)86-63(97)54(36-44-12-8-28-76-37-44)84-62(96)53(33-41-19-24-47(71)25-20-41)83-60(94)51(80-40(2)90)35-43-18-23-45-13-6-7-14-46(45)32-43/h6-8,12-14,18-28,32,37,39,49-57,89,91H,9-11,15-17,29-31,33-36,38H2,1-5H3,(H2,72,92)(H,79,99)(H,80,90)(H,81,95)(H,82,100)(H,83,94)(H,84,96)(H,85,98)(H,86,97)(H,87,93)(H4,73,74,77)(H3,75,78,102)/t39-,49-,50+,51-,52+,53-,54-,55+,56+,57-/m1/s1

InChIKey

GBONOJLAYCGCKZ-CNXOCHLTSA-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]-3,3-dimethylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 25081540