Acetyl-arg-val-leu-tyr[ch2nh]-phe-glu-ala-nle-nh2

Structural Information

Molecular Formula

C₅₁H₈₀N₁₂O₁₁

SMILES

CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C51H80N12O11/c1-8-9-16-37(44(52)68)60-45(69)31(6)57-46(70)39(22-23-42(66)67)61-48(72)40(27-33-14-11-10-12-15-33)56-28-35(26-34-18-20-36(65)21-19-34)59-49(73)41(25-29(2)3)62-50(74)43(30(4)5)63-47(71)38(58-32(7)64)17-13-24-55-51(53)54/h10-12,14-15,18-21,29-31,35,37-41,43,56,65H,8-9,13,16-17,22-28H2,1-7H3,(H2,52,68)(H,57,70)(H,58,64)(H,59,73)(H,60,69)(H,61,72)(H,62,74)(H,63,71)(H,66,67)(H4,53,54,55)/t31-,35-,37-,38-,39-,40-,41-,43-/m0/s1

InChIKey

DHZOJRCIAGEVPP-REEMWAGBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768146