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

Structural Information

Molecular Formula

C₆₇H₁₀₈N₂₂O₁₅S

SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCSC)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)N

InChI

InChI=1S/C67H108N22O15S/c1-38(2)31-46(83-56(94)43(18-10-25-75-66(70)71)80-61(99)51-21-13-28-88(51)63(101)44(81-54(92)39(3)69)19-11-26-76-67(72)73)57(95)86-49(36-90)59(97)84-47(33-41-34-74-37-78-41)58(96)79-42(17-8-9-24-68)55(93)77-35-53(91)87-27-12-20-50(87)60(98)82-45(23-30-105-4)64(102)89-29-14-22-52(89)62(100)85-48(65(103)104)32-40-15-6-5-7-16-40/h5-7,15-16,34,37-39,42-52,90H,8-14,17-33,35-36,68-69H2,1-4H3,(H,74,78)(H,77,93)(H,79,96)(H,80,99)(H,81,92)(H,82,98)(H,83,94)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/t39-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

DVPJEQOYLAGCGP-WAZINIRISA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]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 514187