名称: CP-0597
IUPAC: (2S)-2-[[2-[[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILES:
NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C1CCCCC1Canonical SMILES:
C1CCC(CC1)N(CC(=O)NC(CCCN=C(N)N)C(=O)O)C(=O)C2CC3=CC=CC=C3CN2C(=O)C(CO)NC(=O)C(CC4=CC=CS4)NC(=O)CNC(=O)C5CC(CN5C(=O)C6CCCN6C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O分子式: C58H89N19O13S
分子量: 1292.50
InChIKey: UZTHIUKOCVEJNZ-GWJNKJQQSA-N
InChI:
PubChem CID: 9833644 →InChI=1S/C58H89N19O13S/c59-38(16-6-20-66-56(60)61)48(82)72-39(17-7-21-67-57(62)63)51(85)74-23-9-19-43(74)53(87)77-30-36(79)26-44(77)50(84)69-28-46(80)71-41(27-37-15-10-24-91-37)49(83)73-42(32-78)52(86)76-29-34-12-5-4-11-33(34)25-45(76)54(88)75(35-13-2-1-3-14-35)31-47(81)70-40(55(89)90)18-8-22-68-58(64)65/h4-5,10-12,15,24,35-36,38-45,78-79H,1-3,6-9,13-14,16-23,25-32,59H2,(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t36-,38-,39+,40+,41+,42+,43+,44+,45-/m1/s1同義語
CP-0597B2-RA cpdRefChem:919113CP0597CP 0597UZTHIUKOCVEJNZ-GWJNKJQQSA-N