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

Structural Information

Molecular Formula

C₆₉H₁₁₁N₂₃O₁₅S

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)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/C69H111N23O15S/c1-39(2)33-48(88-59(98)45(18-10-27-78-68(73)74)84-63(102)52-21-13-30-91(52)65(104)46(19-11-28-79-69(75)76)85-57(96)43(71)23-24-54(72)93)60(99)82-40(3)56(95)87-49(35-42-36-77-38-81-42)61(100)83-44(17-8-9-26-70)58(97)80-37-55(94)90-29-12-20-51(90)62(101)86-47(25-32-108-4)66(105)92-31-14-22-53(92)64(103)89-50(67(106)107)34-41-15-6-5-7-16-41/h5-7,15-16,36,38-40,43-53H,8-14,17-35,37,70-71H2,1-4H3,(H2,72,93)(H,77,81)(H,80,97)(H,82,99)(H,83,100)(H,84,102)(H,85,96)(H,86,101)(H,87,95)(H,88,98)(H,89,103)(H,106,107)(H4,73,74,78)(H4,75,76,79)/t40-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

XWLFZWNGBASLST-QXPQWDBSSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-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]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 25081217