Nh2-ser-asn-gln-gly-gly-ser-pro-leu-pro-ser-val-cooh

Structural Information

Molecular Formula

C₄₉H₈₃N₁₇O₁₈

SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N

InChI

InChI=1S/C49H83N17O18/c1-23(2)16-29(46(81)65-14-6-9-32(65)44(79)60-26(8-5-13-55-49(53)54)41(76)63-30(21-68)43(78)64-38(24(3)4)48(83)84)62-45(80)33-10-7-15-66(33)47(82)31(22-69)58-37(73)19-56-36(72)18-57-40(75)27(11-12-34(51)70)59-42(77)28(17-35(52)71)61-39(74)25(50)20-67/h23-33,38,67-69H,5-22,50H2,1-4H3,(H2,51,70)(H2,52,71)(H,56,72)(H,57,75)(H,58,73)(H,59,77)(H,60,79)(H,61,74)(H,62,80)(H,63,76)(H,64,78)(H,83,84)(H4,53,54,55)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,38-/m0/s1

InChIKey

QDTYKMCJODSAQK-BZCGETMPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 5273898