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

Structural Information

Molecular Formula

C₇₃H₉₄ClN₁₇O₁₄

SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(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=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

InChI

InChI=1S/C73H94ClN17O14/c1-40(2)32-55(64(97)85-54(17-10-29-79-72(76)77)71(104)91-31-11-18-61(91)70(103)82-41(3)62(75)95)86-63(96)53(16-9-30-80-73(78)105)84-66(99)57(35-44-22-27-50(94)28-23-44)88-69(102)60(39-92)90-68(101)59(37-48-38-81-52-15-8-7-14-51(48)52)89-67(100)58(34-43-20-25-49(74)26-21-43)87-65(98)56(83-42(4)93)36-45-19-24-46-12-5-6-13-47(46)33-45/h5-8,12-15,19-28,33,38,40-41,53-61,81,92,94H,9-11,16-18,29-32,34-37,39H2,1-4H3,(H2,75,95)(H,82,103)(H,83,93)(H,84,99)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,100)(H,90,101)(H4,76,77,79)(H3,78,80,105)/t41-,53-,54+,55+,56-,57+,58-,59-,60+,61+/m1/s1

InChIKey

AXIUPOOZUHMFHB-OZBKNRPLSA-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-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16197540