Nh2-arg-lys-ser-ile-tyr-ile-gly-pro-gly-arg-ala-phe-tyr-cooh

Structural Information

Molecular Formula

C₇₂H₁₁₀N₂₀O₁₇

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C72H110N20O17/c1-6-40(3)58(90-65(103)52(35-44-22-26-46(94)27-23-44)87-69(107)59(41(4)7-2)91-66(104)54(39-93)89-63(101)50(19-11-12-30-73)85-61(99)48(74)18-13-31-79-71(75)76)68(106)82-38-57(97)92-33-15-21-55(92)67(105)81-37-56(96)84-49(20-14-32-80-72(77)78)62(100)83-42(5)60(98)86-51(34-43-16-9-8-10-17-43)64(102)88-53(70(108)109)36-45-24-28-47(95)29-25-45/h8-10,16-17,22-29,40-42,48-55,58-59,93-95H,6-7,11-15,18-21,30-39,73-74H2,1-5H3,(H,81,105)(H,82,106)(H,83,100)(H,84,96)(H,85,99)(H,86,98)(H,87,107)(H,88,102)(H,89,101)(H,90,103)(H,91,104)(H,108,109)(H4,75,76,79)(H4,77,78,80)/t40-,41-,42-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1

InChIKey

QZGRDHJJIVXWBW-BFLYKKSWSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 25082981