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

Structural Information

Molecular Formula

C₆₉H₉₀ClN₁₇O₁₄

SMILES

CCC[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/C69H90ClN17O14/c1-4-11-49(59(92)82-51(16-9-29-76-68(72)73)67(100)87-31-10-17-57(87)66(99)78-39(2)58(71)91)80-60(93)50(15-8-30-77-69(74)101)81-62(95)53(34-42-21-26-48(90)27-22-42)85-65(98)56(38-88)86-64(97)55(36-44-12-7-28-75-37-44)84-63(96)54(33-41-19-24-47(70)25-20-41)83-61(94)52(79-40(3)89)35-43-18-23-45-13-5-6-14-46(45)32-43/h5-7,12-14,18-28,32,37,39,49-57,88,90H,4,8-11,15-17,29-31,33-36,38H2,1-3H3,(H2,71,91)(H,78,99)(H,79,89)(H,80,93)(H,81,95)(H,82,92)(H,83,94)(H,84,96)(H,85,98)(H,86,97)(H4,72,73,76)(H3,74,77,101)/t39-,49+,50-,51+,52-,53+,54-,55-,56+,57+/m1/s1

InChIKey

KYPYQQKJSAGDEH-QZKJEHPRSA-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]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 25081536