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

Structural Information

Molecular Formula

C₇₁H₉₄ClN₁₇O₁₄

SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=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/C71H94ClN17O14/c1-40(2)32-53(62(95)83-52(16-10-30-78-70(74)75)69(102)89-31-11-17-59(89)68(101)80-41(3)60(73)93)84-61(94)51(15-7-8-29-79-71(76)103)82-64(97)55(35-44-21-26-50(92)27-22-44)87-67(100)58(39-90)88-66(99)57(37-46-12-9-28-77-38-46)86-65(98)56(34-43-19-24-49(72)25-20-43)85-63(96)54(81-42(4)91)36-45-18-23-47-13-5-6-14-48(47)33-45/h5-6,9,12-14,18-28,33,38,40-41,51-59,90,92H,7-8,10-11,15-17,29-32,34-37,39H2,1-4H3,(H2,73,93)(H,80,101)(H,81,91)(H,82,97)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,100)(H,88,99)(H4,74,75,78)(H3,76,79,103)/t41-,51-,52+,53+,54-,55+,56-,57-,58+,59+/m1/s1

InChIKey

ACXZUMBEJKJTSA-TVFRRIGISA-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]-6-(carbamoylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 25081538