Ac-y-r-a-r-v-f-nph-val-r-a-a-k

Structural Information

Molecular Formula

C₇₂H₁₁₁N₂₃O₁₇

SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C72H111N23O17/c1-38(2)56(67(107)89-50(21-15-33-81-71(76)77)62(102)84-40(5)58(98)83-41(6)60(100)90-52(69(109)110)19-12-13-31-73)94-66(106)55(37-45-23-27-47(28-24-45)95(111)112)91-65(105)54(35-44-17-10-9-11-18-44)92-68(108)57(39(3)4)93-63(103)51(22-16-34-82-72(78)79)87-59(99)42(7)85-61(101)49(20-14-32-80-70(74)75)88-64(104)53(86-43(8)96)36-46-25-29-48(97)30-26-46/h9-11,17-18,23-30,38-42,49-57,97H,12-16,19-22,31-37,73H2,1-8H3,(H,83,98)(H,84,102)(H,85,101)(H,86,96)(H,87,99)(H,88,104)(H,89,107)(H,90,100)(H,91,105)(H,92,108)(H,93,103)(H,94,106)(H,109,110)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t40-,41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

QKLYXNLIHPPFQY-FBHRGQTISA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoic acid

Related CIDs

• CID 135542262