Nh2-gln-arg-pro-arg-leu-ser-his-ala-gly-pro-met-pro-phe-oh

Structural Information

Molecular Formula

C₆₆H₁₀₄N₂₂O₁₆S

SMILES

C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C66H104N22O16S/c1-36(2)29-44(82-55(94)41(15-8-23-74-65(69)70)79-60(99)49-18-11-26-87(49)62(101)42(16-9-24-75-66(71)72)80-54(93)40(67)20-21-51(68)90)57(96)85-47(34-89)58(97)83-45(31-39-32-73-35-77-39)56(95)78-37(3)53(92)76-33-52(91)86-25-10-17-48(86)59(98)81-43(22-28-105-4)63(102)88-27-12-19-50(88)61(100)84-46(64(103)104)30-38-13-6-5-7-14-38/h5-7,13-14,32,35-37,40-50,89H,8-12,15-31,33-34,67H2,1-4H3,(H2,68,90)(H,73,77)(H,76,92)(H,78,95)(H,79,99)(H,80,93)(H,81,98)(H,82,94)(H,83,97)(H,84,100)(H,85,96)(H,103,104)(H4,69,70,74)(H4,71,72,75)/t37-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

USELMYXEJHZIEL-KILGZPTDSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 25081218