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

Structural Information

Molecular Formula

C₆₇H₁₀₈N₂₀O₁₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C67H108N20O17/c1-7-36(3)52(85-64(102)54(39(6)89)86-63(101)53(37(4)8-2)84-60(98)48(35-88)83-58(96)45(20-12-13-27-68)80-56(94)43(69)19-14-28-74-66(70)71)62(100)77-34-51(92)87-30-16-22-49(87)61(99)76-33-50(91)79-44(21-15-29-75-67(72)73)57(95)78-38(5)55(93)81-46(31-40-17-10-9-11-18-40)59(97)82-47(65(103)104)32-41-23-25-42(90)26-24-41/h9-11,17-18,23-26,36-39,43-49,52-54,88-90H,7-8,12-16,19-22,27-35,68-69H2,1-6H3,(H,76,99)(H,77,100)(H,78,95)(H,79,91)(H,80,94)(H,81,93)(H,82,97)(H,83,96)(H,84,98)(H,85,102)(H,86,101)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t36-,37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1

InChIKey

LPZKXEJQMXYQNB-RLXXINASSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3R)-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-hydroxybutanoyl]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 16077126