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

Structural Information

Molecular Formula

C₆₈H₉₀ClN₁₇O₁₄

SMILES

C[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)C

InChI

InChI=1S/C68H90ClN17O14/c1-37(2)29-51(61(94)80-49(14-9-27-75-67(71)72)59(92)78-39(4)58(91)77-38(3)57(70)90)82-60(93)50(15-10-28-76-68(73)100)81-63(96)53(32-42-19-24-48(89)25-20-42)85-66(99)56(36-87)86-65(98)55(34-44-11-8-26-74-35-44)84-64(97)54(31-41-17-22-47(69)23-18-41)83-62(95)52(79-40(5)88)33-43-16-21-45-12-6-7-13-46(45)30-43/h6-8,11-13,16-26,30,35,37-39,49-56,87,89H,9-10,14-15,27-29,31-34,36H2,1-5H3,(H2,70,90)(H,77,91)(H,78,92)(H,79,88)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,97)(H,85,99)(H,86,98)(H4,71,72,75)(H3,73,76,100)/t38-,39+,49+,50-,51+,52-,53+,54-,55-,56+/m1/s1

InChIKey

DAQUBVNXADQTMY-NMDHHYQSSA-N

Compound name

(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]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide

Related CIDs

• CID 25081539