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

Structural Information

Molecular Formula

C₆₇H₁₀₇N₂₁O₁₇

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](CC(=O)N)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/C67H107N21O17/c1-6-36(3)53(86-60(99)46(32-50(70)91)83-64(103)54(37(4)7-2)87-61(100)48(35-89)85-58(97)44(19-11-12-26-68)81-56(95)42(69)18-13-27-75-66(71)72)63(102)78-34-52(93)88-29-15-21-49(88)62(101)77-33-51(92)80-43(20-14-28-76-67(73)74)57(96)79-38(5)55(94)82-45(30-39-16-9-8-10-17-39)59(98)84-47(65(104)105)31-40-22-24-41(90)25-23-40/h8-10,16-17,22-25,36-38,42-49,53-54,89-90H,6-7,11-15,18-21,26-35,68-69H2,1-5H3,(H2,70,91)(H,77,101)(H,78,102)(H,79,96)(H,80,92)(H,81,95)(H,82,94)(H,83,103)(H,84,98)(H,85,97)(H,86,99)(H,87,100)(H,104,105)(H4,71,72,75)(H4,73,74,76)/t36-,37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1

InChIKey

MOUNGAOEXUTWIG-IDKAHLEXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-4-amino-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]-4-oxobutanoyl]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 25082980